Infrared, Raman, and visible spectroscopic studies of Zn and Cd matrix reactions with ozone. Spectra of metal ozonides and oxides in solid argon and nitrogen

Abstract

Reactions of zinc and cadmium atoms with ozone during condensation with excess nitrogen or argon produced B+O3− ion-pairs having infrared, Raman, and optical spectra similar to the analogous alkali and alkaline earth metal species. Additional infrared and Raman evidence was found for a different B+O3− ion-pair geometry. Mercury arc photolysis reduced ozonide absorptions and produced new 810 cm−1 zinc isotopic triplets which showed the appropriate 18O shifts for ZnO, and a new 719 cm−1 band which showed the proper 18O displacement for CdO. This nitrogen matrix work provides good measures of the yet-to-be-observed gas-phase fundamentals of these high temperature oxides.

Zinc oxide and its anion: A negative ion photoelectron spectroscopic study

“…We attribute the observed vibronic profile primarily to ZnO Ϫ (X 2 ⌺ ϩ :vЉ)→ZnO(X 1 ⌺ ϩ :vЈ) transitions. The vibrational spacings observed toward the high EBE side of this profile compare well with the literature value 20 for the vibrational frequency of neutral ZnO, while the lone, distinct vibrational spacing observed on its low EBE side is somewhat smaller. Given that the vibrational frequency of ZnO Ϫ is expected to be significantly less than that of ZnO, and that hot bands appear most prominently on the low EBE side of vibronic profiles, the assignment of this spectrum is straightforward ͑see Fig.…”

“…Experimental determinations of the vibrational frequency of ZnO, e (ZnO), were available both from the peak spacings in our spectrum and from the matrix study by Andrews. 20 The spectral simulation was run using both numbers and was found to converge to the same value. The hot band vibrational spacing observed on the low EBE side of the spectrum served as initial input for the vibrational frequency of ZnO Ϫ .…”

Influence of back donation effects on the structure of ZnO nanoclusters

“…First, we consider the basis sets effects for the ZnO dimer. In Table 1 we present the computed interatomic distances r e , vibrational frequencies ω e , dissociation energies D 0 , singlet-triplet state splittings The basis extensions lead to a larger ω e value bringing it in better agreement with experiment (811 cm −1 and 805±40 cm −1 ) 47,48 . Both CCSD(T) 41 and most DFT methods seem to somewhat underestimate it; however, there are also other experiments 49,50 which predict the ω e value as 769 cm −1 and 738 cm −1 respectively, it appears that Note: Here, r e is the bond length, ω e is the harmonic vibrational frequency, D 0 is the dissociation energy, T e is the triplet-singlet splitting energy, EA is the electron affinity, q NBO is the atomic charge according to NBO, μ is the computed dipole moment, μ NBO is the dipole moment evaluated using the NPA charges on atoms.…”

Inhibition and Biocide Actions of Sodium Dodecyl Sulfate-Zn2+ System for the Corrosion of Carbon Steel in Chloride Solution

“…The bands at 777.17 cm -1 and 894.81 cm -1 may be due to Zn-O bending vibration and stretching frequency, respectively [22]. The band at 522.61 cm -1 may be due to Fe-O stretching vibration [23]. …”